#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg7 n SER 2 N 0.00 -9.28 0.00 1.61 2.88 -1.26 -5.08 113.62 102.49 1wg7 n SER 2 Ca 0.00 1.75 0.00 0.00 -1.33 0.00 0.00 58.87 59.29 1wg7 n SER 2 Cb 0.00 -5.15 0.00 0.00 -0.75 0.00 0.00 64.21 58.31 1wg7 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wg7 n SER 3 N 1.90 0.00 0.00 -3.46 2.88 -1.26 -5.17 113.62 108.51 1wg7 n SER 3 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wg7 n SER 3 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wg7 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg7 n GLY 4 N -0.22 3.29 3.37 0.46 0.00 -1.26 -5.17 105.19 105.66 1wg7 n GLY 4 Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 46.02 45.83 1wg7 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg7 s SER 5 N 0.00 -0.59 0.00 1.61 1.04 -1.26 -5.18 113.70 109.32 1wg7 s SER 5 Ca 0.00 0.76 -0.30 0.00 0.48 0.00 0.00 55.95 56.89 1wg7 s SER 5 Cb 0.00 1.65 0.11 0.00 0.10 0.00 0.00 66.02 67.88 1wg7 s SER 5 CO 0.00 -0.11 1.16 -0.94 0.98 0.00 0.00 173.24 174.33 1wg7 s SER 6 N 2.51 -0.12 0.00 7.02 1.04 -1.26 -5.16 113.70 117.72 1wg7 s SER 6 Ca -0.02 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1wg7 s SER 6 Cb -0.07 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1wg7 s SER 6 CO -0.17 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1wg7 n GLY 7 N -0.41 3.19 3.16 7.32 0.00 -1.26 -5.17 105.19 112.03 1wg7 n GLY 7 Ca -0.07 -0.78 0.04 0.00 0.00 0.00 0.00 46.02 45.22 1wg7 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wg7 s ALA 8 N 0.00 -3.50 -0.29 4.61 0.00 -1.26 -5.17 121.76 116.14 1wg7 s ALA 8 Ca 0.00 1.63 -0.20 0.00 0.00 0.00 0.00 51.96 53.39 1wg7 s ALA 8 Cb 0.00 -2.40 0.18 0.00 0.00 0.00 0.00 23.12 20.90 1wg7 s ALA 8 CO 0.00 -1.12 1.25 0.00 0.00 0.00 0.00 175.76 175.89 1wg7 s ALA 9 N 2.29 -2.37 0.00 0.00 0.00 -1.26 -5.16 121.76 115.26 1wg7 s ALA 9 Ca -0.02 1.90 0.00 0.00 0.00 0.00 0.00 51.96 53.84 1wg7 s ALA 9 Cb -0.02 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.29 1wg7 s ALA 9 CO -0.13 -0.24 0.00 -1.13 0.00 0.00 0.00 175.76 174.26 1wg7 n SER 10 N 2.57 0.00 -3.79 0.00 3.41 -1.26 -5.19 113.62 109.36 1wg7 n SER 10 Ca -0.14 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.39 1wg7 n SER 10 Cb 0.57 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 1wg7 n SER 10 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1wg7 s LEU 11 N 0.00 -0.18 0.00 1.04 1.43 -1.26 -5.17 118.68 114.54 1wg7 s LEU 11 Ca 0.00 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1wg7 s LEU 11 Cb 0.00 2.65 0.00 0.00 0.03 0.00 0.00 46.19 48.87 1wg7 s LEU 11 CO 0.00 -1.36 0.00 0.61 0.23 0.00 0.00 176.35 175.83 1wg7 n GLY 12 N -0.46 3.92 0.00 -3.19 0.00 -1.26 -4.96 105.19 99.24 1wg7 n GLY 12 Ca -0.04 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1wg7 n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wg7 n SER 13 N 0.00 0.00 -4.57 1.61 3.41 -1.26 -4.92 113.62 107.89 1wg7 n SER 13 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1wg7 n SER 13 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1wg7 n SER 13 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1wg7 s GLN 14 N 0.00 2.02 -0.24 4.33 0.74 -1.26 -5.01 119.66 120.24 1wg7 s GLN 14 Ca 0.00 -2.23 -0.01 0.00 0.05 0.00 0.00 55.36 53.17 1wg7 s GLN 14 Cb 0.00 -1.31 0.07 0.00 1.10 0.00 0.00 33.01 32.87 1wg7 s GLN 14 CO 0.00 -0.28 0.03 0.15 -0.55 0.00 0.00 175.29 174.64 1wg7 s LYS 15 N -3.81 0.94 0.00 1.67 -0.14 -1.26 -4.95 119.74 112.19 1wg7 s LYS 15 Ca 0.20 -0.79 0.00 0.00 -1.36 0.00 0.00 55.97 54.02 1wg7 s LYS 15 Cb 0.05 -2.22 0.00 0.00 -1.68 0.00 0.00 37.83 33.98 1wg7 s LYS 15 CO 0.10 -0.74 0.00 0.41 -0.76 0.00 0.00 175.35 174.36 1wg7 n GLY 16 N 4.88 1.67 0.00 -3.33 0.00 -1.26 -5.06 105.19 102.08 1wg7 n GLY 16 Ca -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1wg7 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wg7 n GLY 17 N 0.00 1.59 0.00 -0.02 0.00 -1.26 -5.10 105.19 100.40 1wg7 n GLY 17 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1wg7 n GLY 17 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wg7 n ILE 18 N 1.53 0.00 0.00 -0.61 5.41 -1.26 -5.15 119.36 119.28 1wg7 n ILE 18 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1wg7 n ILE 18 Cb 0.00 -0.68 0.00 0.00 -0.71 0.00 0.00 39.64 38.25 1wg7 n ILE 18 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1wg7 n THR 19 N -0.55 0.00 -3.64 1.39 5.66 -1.26 -4.94 114.28 110.94 1wg7 n THR 19 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1wg7 n THR 19 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 1wg7 n THR 19 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1wg7 s LYS 20 N -2.00 0.05 -0.13 1.09 2.20 -1.26 -5.02 119.74 114.67 1wg7 s LYS 20 Ca 0.00 0.01 -0.10 0.00 -0.36 0.00 0.00 55.97 55.52 1wg7 s LYS 20 Cb 0.00 0.03 0.04 0.00 -1.51 0.00 0.00 37.83 36.38 1wg7 s LYS 20 CO 0.00 -0.02 0.33 -3.38 -0.36 0.00 0.00 175.35 171.92 1wg7 s HIS 21 N -1.08 -0.39 0.00 4.03 -3.43 -1.26 -1.89 115.29 111.27 1wg7 s HIS 21 Ca 0.09 0.93 0.00 0.00 -0.80 0.00 0.00 55.06 55.28 1wg7 s HIS 21 Cb -0.01 0.13 0.00 0.00 -1.43 0.00 0.00 32.58 31.27 1wg7 s HIS 21 CO -0.08 -0.21 0.00 0.41 -2.00 0.00 0.00 174.74 172.86 1wg7 n GLY 22 N 3.35 -0.57 3.42 -1.38 0.00 -1.15 -5.02 105.19 103.84 1wg7 n GLY 22 Ca -0.17 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 1wg7 n GLY 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wg7 s TRP 23 N -2.00 3.19 0.53 1.61 0.52 -1.26 0.06 118.94 121.59 1wg7 s TRP 23 Ca 0.00 -0.68 0.06 0.00 0.02 0.00 0.00 56.10 55.50 1wg7 s TRP 23 Cb 0.00 -2.37 0.03 0.00 -1.15 0.00 0.00 33.47 29.98 1wg7 s TRP 23 CO 0.00 -0.51 0.42 -0.51 0.02 0.00 0.00 176.95 176.38 1wg7 s LEU 24 N 1.59 2.84 -0.52 2.99 1.43 0.61 -4.79 118.68 122.83 1wg7 s LEU 24 Ca 0.04 -1.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.00 1wg7 s LEU 24 Cb -0.18 -1.34 0.14 0.00 0.03 0.00 0.00 46.19 44.84 1wg7 s LEU 24 CO 0.06 -1.05 0.29 -0.31 0.23 0.00 0.00 176.35 175.58 1wg7 s TYR 25 N -2.72 3.39 0.51 0.29 1.51 0.13 -0.58 117.35 119.89 1wg7 s TYR 25 Ca 0.38 -2.91 -0.18 0.00 -1.01 0.00 0.00 57.07 53.36 1wg7 s TYR 25 Cb -0.02 -3.02 -0.08 0.00 -0.11 0.00 0.00 41.96 38.73 1wg7 s TYR 25 CO 0.24 -0.83 1.01 0.21 -1.11 0.00 0.00 175.55 175.06 1wg7 s LYS 26 N 0.10 3.81 0.00 -0.62 2.20 0.92 -2.00 119.74 124.16 1wg7 s LYS 26 Ca 0.15 1.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 1wg7 s LYS 26 Cb -0.23 -2.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 1wg7 s LYS 26 CO -0.03 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 1wg7 n GLY 27 N -0.93 5.90 0.03 5.54 0.00 0.12 -0.76 105.19 115.09 1wg7 n GLY 27 Ca 0.08 -1.56 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 1wg7 n GLY 27 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wg7 n ASN 28 N 0.00 3.56 -1.12 1.61 5.15 -1.23 -4.43 115.26 118.80 1wg7 n ASN 28 Ca 0.00 -0.03 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 1wg7 n ASN 28 Cb 0.00 -0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.19 1wg7 n ASN 28 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 1wg7 n MET 29 N -2.65 -3.15 0.00 1.20 1.56 -0.42 -4.78 117.12 108.87 1wg7 n MET 29 Ca -0.10 2.29 0.00 0.00 -0.27 0.00 0.00 57.70 59.62 1wg7 n MET 29 Cb 0.61 -2.53 0.00 0.00 2.15 0.00 0.00 33.22 33.45 1wg7 n MET 29 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1wg7 n ASN 30 N -0.05 0.00 0.00 6.12 5.15 -1.26 -4.75 115.26 120.47 1wg7 n ASN 30 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1wg7 n ASN 30 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1wg7 n ASN 30 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1wg7 n SER 31 N 0.00 0.00 -4.64 1.20 7.64 -1.26 -3.88 113.62 112.68 1wg7 n SER 31 Ca 0.00 0.59 -0.61 0.00 1.01 0.00 0.00 58.87 59.86 1wg7 n SER 31 Cb 0.00 -0.09 -0.09 0.00 -1.01 0.00 0.00 64.21 63.02 1wg7 n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg7 n ALA 32 N -1.16 -0.40 -0.01 -0.43 0.00 -1.26 -4.68 120.51 112.56 1wg7 n ALA 32 Ca 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 53.44 53.71 1wg7 n ALA 32 Cb 0.00 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.29 1wg7 n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1wg7 h ILE 33 N 5.57 0.68 -0.25 0.00 6.09 -1.99 0.72 117.51 128.32 1wg7 h ILE 33 Ca -0.39 0.00 0.07 0.00 -1.37 0.00 0.00 64.86 63.17 1wg7 h ILE 33 Cb 1.35 0.68 -0.01 0.00 0.47 0.00 0.00 36.82 39.31 1wg7 h ILE 33 CO 0.99 0.00 0.56 -1.28 -3.07 0.00 0.00 178.15 175.35 1wg7 h SER 34 N -0.11 0.00 0.01 2.19 0.87 -1.93 0.98 113.55 115.56 1wg7 h SER 34 Ca 0.09 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.32 1wg7 h SER 34 Cb 0.25 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 1wg7 h SER 34 CO -0.22 0.00 -1.82 0.52 -0.53 0.00 0.00 176.83 174.78 1wg7 n VAL 35 N -3.15 1.56 -0.32 2.23 0.31 0.83 -3.56 118.33 116.22 1wg7 n VAL 35 Ca 0.04 -0.24 0.20 0.00 -0.01 0.00 0.00 64.34 64.34 1wg7 n VAL 35 Cb 0.67 -1.92 0.38 0.00 -0.91 0.00 0.00 33.84 32.06 1wg7 n VAL 35 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1wg7 n THR 36 N -4.21 -0.40 -0.03 2.52 5.66 0.21 0.15 114.28 118.18 1wg7 n THR 36 Ca -0.40 2.04 -0.17 0.00 -3.05 0.00 0.00 64.05 62.47 1wg7 n THR 36 Cb 0.80 -3.09 -0.08 0.00 -1.55 0.00 0.00 70.33 66.42 1wg7 n THR 36 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 1wg7 h MET 37 N 0.00 0.66 -6.93 1.09 2.86 -1.57 -1.12 114.93 109.93 1wg7 h MET 37 Ca 0.66 -0.53 -0.55 0.00 -2.06 0.00 0.00 59.70 57.21 1wg7 h MET 37 Cb 1.53 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.28 1wg7 h MET 37 CO -0.84 1.15 -0.99 0.54 1.06 0.00 0.00 176.91 177.83 1wg7 n ARG 38 N -4.09 -0.53 -3.45 1.72 5.12 0.39 -1.65 116.66 114.16 1wg7 n ARG 38 Ca -0.08 0.19 -0.24 0.00 -1.93 0.00 0.00 57.85 55.79 1wg7 n ARG 38 Cb 0.67 -2.23 0.01 0.00 -1.16 0.00 0.00 32.46 29.75 1wg7 n ARG 38 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1wg7 n SER 39 N -2.10 -4.12 -3.57 0.55 7.64 -1.26 -4.43 113.62 106.33 1wg7 n SER 39 Ca -0.16 -0.64 -0.50 0.00 1.01 0.00 0.00 58.87 58.58 1wg7 n SER 39 Cb 0.57 -1.32 -0.10 0.00 -1.01 0.00 0.00 64.21 62.35 1wg7 n SER 39 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1wg7 n PHE 40 N -1.71 1.04 -3.43 1.43 3.72 -0.66 -4.87 117.46 112.99 1wg7 n PHE 40 Ca -0.22 0.69 -0.38 0.00 -0.05 0.00 0.00 57.45 57.49 1wg7 n PHE 40 Cb 0.58 -1.87 -0.06 0.00 -0.94 0.00 0.00 39.48 37.19 1wg7 n PHE 40 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1wg7 s LYS 41 N 4.50 4.05 -0.01 -1.08 2.47 0.06 -4.86 119.74 124.87 1wg7 s LYS 41 Ca 0.96 0.48 -0.20 0.00 -1.56 0.00 0.00 55.97 55.65 1wg7 s LYS 41 Cb -1.23 -3.26 -0.05 0.00 -1.46 0.00 0.00 37.83 31.82 1wg7 s LYS 41 CO 0.57 0.59 0.59 0.50 0.16 0.00 0.00 175.35 177.75 1wg7 s ARG 42 N -0.79 4.31 0.12 4.03 3.52 -1.26 -0.05 118.95 128.82 1wg7 s ARG 42 Ca 0.25 0.72 -0.07 0.00 -0.13 0.00 0.00 55.73 56.50 1wg7 s ARG 42 Cb -0.17 -3.34 -0.01 0.00 -1.56 0.00 0.00 34.95 29.87 1wg7 s ARG 42 CO 0.14 0.37 0.18 1.03 -0.81 0.00 0.00 175.30 176.21 1wg7 s ARG 43 N -0.20 0.95 -0.58 5.12 3.00 0.26 -4.95 118.95 122.55 1wg7 s ARG 43 Ca 0.31 -1.14 -0.21 0.00 0.00 0.00 0.00 55.73 54.68 1wg7 s ARG 43 Cb -0.18 0.33 0.07 0.00 0.00 0.00 0.00 34.95 35.16 1wg7 s ARG 43 CO 0.17 -0.31 0.82 0.12 0.00 0.00 0.00 175.30 176.11 1wg7 s PHE 44 N -3.94 2.86 -0.66 -0.53 5.36 0.49 -0.28 117.98 121.27 1wg7 s PHE 44 Ca 0.13 -0.51 -0.26 0.00 -0.96 0.00 0.00 56.93 55.32 1wg7 s PHE 44 Cb 0.05 -4.00 0.04 0.00 -0.34 0.00 0.00 43.02 38.76 1wg7 s PHE 44 CO -0.05 -1.36 1.17 -0.06 -1.46 0.00 0.00 175.22 173.46 1wg7 s PHE 45 N 3.42 2.48 -0.30 10.12 0.40 0.11 0.11 117.98 134.31 1wg7 s PHE 45 Ca 0.20 0.00 -0.07 0.00 -0.60 0.00 0.00 56.93 56.46 1wg7 s PHE 45 Cb -0.18 -4.49 0.01 0.00 0.51 0.00 0.00 43.02 38.88 1wg7 s PHE 45 CO 0.12 -1.80 0.09 -1.58 0.70 0.00 0.00 175.22 172.75 1wg7 s HIS 46 N 5.08 3.17 0.10 0.36 5.65 0.25 -2.95 115.29 126.95 1wg7 s HIS 46 Ca 0.35 -1.02 -0.29 0.00 0.25 0.00 0.00 55.06 54.35 1wg7 s HIS 46 Cb -0.10 -2.27 -0.06 0.00 -1.18 0.00 0.00 32.58 28.98 1wg7 s HIS 46 CO 0.18 -0.59 0.92 -1.17 -0.65 0.00 0.00 174.74 173.42 1wg7 s LEU 47 N 1.49 4.49 0.02 8.88 2.96 -0.79 -1.39 118.68 134.35 1wg7 s LEU 47 Ca 0.02 1.73 0.00 0.00 -0.22 0.00 0.00 54.13 55.66 1wg7 s LEU 47 Cb -0.18 -3.51 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 1wg7 s LEU 47 CO 0.03 -0.04 -0.04 -0.51 -1.32 0.00 0.00 176.35 174.47 1wg7 s ILE 48 N -0.04 0.19 -0.03 6.68 2.07 -0.70 -4.58 121.20 124.79 1wg7 s ILE 48 Ca 0.45 -0.78 -0.22 0.00 -1.41 0.00 0.00 60.65 58.69 1wg7 s ILE 48 Cb -0.23 -0.29 -0.05 0.00 0.13 0.00 0.00 42.46 42.02 1wg7 s ILE 48 CO 0.28 -0.38 0.64 -1.58 -1.91 0.00 0.00 174.94 171.99 1wg7 s GLN 49 N -1.21 4.38 0.09 3.50 0.74 -1.26 -1.01 119.66 124.88 1wg7 s GLN 49 Ca -0.12 0.79 -0.01 0.00 0.05 0.00 0.00 55.36 56.07 1wg7 s GLN 49 Cb -0.08 -3.38 0.02 0.00 1.10 0.00 0.00 33.01 30.66 1wg7 s GLN 49 CO -0.01 0.25 0.05 1.28 -0.55 0.00 0.00 175.29 176.31 1wg7 n LEU 50 N 3.12 0.00 -0.19 3.68 7.99 0.55 -4.63 117.00 127.52 1wg7 n LEU 50 Ca -0.05 -0.05 0.09 0.00 -0.01 0.00 0.00 56.01 55.99 1wg7 n LEU 50 Cb 0.51 -0.06 0.17 0.00 -0.11 0.00 0.00 43.42 43.93 1wg7 n LEU 50 CO 0.45 -1.45 0.45 0.61 -1.51 0.00 0.00 177.39 175.94 1wg7 n GLY 51 N -0.24 -0.76 0.00 -0.72 0.00 -1.26 -4.12 105.19 98.09 1wg7 n GLY 51 Ca 0.01 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1wg7 n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wg7 n ASP 52 N -4.68 0.00 0.00 1.61 8.00 -1.26 -5.08 116.55 115.14 1wg7 n ASP 52 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1wg7 n ASP 52 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1wg7 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wg7 n GLY 53 N 0.00 -1.21 3.68 0.44 0.00 -1.26 -4.15 105.19 102.69 1wg7 n GLY 53 Ca 0.00 0.42 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 1wg7 n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wg7 s SER 54 N -4.00 3.06 0.41 1.61 0.01 -1.26 -4.67 113.70 108.86 1wg7 s SER 54 Ca 0.00 2.09 0.07 0.00 1.31 0.00 0.00 55.95 59.42 1wg7 s SER 54 Cb 0.00 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.62 1wg7 s SER 54 CO 0.00 -3.00 0.04 -0.31 0.41 0.00 0.00 173.24 170.38 1wg7 s TYR 55 N -2.68 2.53 -0.29 2.43 1.51 -1.26 0.21 117.35 119.79 1wg7 s TYR 55 Ca 0.66 -0.64 -0.14 0.00 -1.01 0.00 0.00 57.07 55.94 1wg7 s TYR 55 Cb -0.22 -1.79 0.13 0.00 -0.11 0.00 0.00 41.96 39.97 1wg7 s TYR 55 CO 0.58 0.41 0.81 -0.80 -1.11 0.00 0.00 175.55 175.44 1wg7 s ASN 56 N -3.74 -0.83 -0.38 2.29 0.01 -0.18 -4.21 114.94 107.91 1wg7 s ASN 56 Ca 0.36 1.21 -0.20 0.00 -0.71 0.00 0.00 52.86 53.52 1wg7 s ASN 56 Cb 0.08 1.70 0.01 0.00 0.41 0.00 0.00 41.25 43.45 1wg7 s ASN 56 CO 0.19 -0.18 0.63 -0.22 -1.51 0.00 0.00 177.10 176.01 1wg7 s LEU 57 N 2.17 4.32 -0.25 0.60 1.98 -1.21 -1.73 118.68 124.57 1wg7 s LEU 57 Ca -0.07 0.01 -0.07 0.00 -2.89 0.00 0.00 54.13 51.11 1wg7 s LEU 57 Cb -0.07 -2.76 -0.03 0.00 0.66 0.00 0.00 46.19 43.99 1wg7 s LEU 57 CO -0.18 -0.64 0.07 0.20 -1.89 0.00 0.00 176.35 173.91 1wg7 s ASN 58 N 1.85 5.13 -0.23 3.68 0.01 -0.49 -0.85 114.94 124.05 1wg7 s ASN 58 Ca 0.24 -0.20 -0.17 0.00 -0.71 0.00 0.00 52.86 52.01 1wg7 s ASN 58 Cb -0.14 -1.92 -0.03 0.00 0.41 0.00 0.00 41.25 39.56 1wg7 s ASN 58 CO 0.16 -0.03 0.48 0.72 -1.51 0.00 0.00 177.10 176.92 1wg7 s PHE 59 N 1.59 3.32 0.32 2.20 -0.12 -1.26 -0.58 117.98 123.44 1wg7 s PHE 59 Ca 0.06 0.65 0.07 0.00 -0.05 0.00 0.00 56.93 57.67 1wg7 s PHE 59 Cb -0.15 -2.66 -0.03 0.00 -0.63 0.00 0.00 43.02 39.56 1wg7 s PHE 59 CO 0.04 -0.17 0.28 0.71 -0.05 0.00 0.00 175.22 176.03 1wg7 s TYR 60 N 1.89 2.95 0.19 3.49 1.51 0.30 -2.12 117.35 125.57 1wg7 s TYR 60 Ca 0.21 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 56.02 1wg7 s TYR 60 Cb -0.15 -1.73 0.11 0.00 -0.11 0.00 0.00 41.96 40.08 1wg7 s TYR 60 CO 0.09 0.24 1.47 -0.22 -1.11 0.00 0.00 175.55 176.02 1wg7 h LYS 61 N 1.28 0.33 -4.92 -0.62 3.64 -1.92 1.43 116.57 115.77 1wg7 h LYS 61 Ca -0.45 -0.26 -0.48 0.00 -1.27 0.00 0.00 60.65 58.18 1wg7 h LYS 61 Cb 1.25 0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 32.99 1wg7 h LYS 61 CO 0.59 0.90 -0.51 -0.51 -2.27 0.00 0.00 179.45 177.65 1wg7 s ASP 62 N -6.94 1.89 0.02 4.20 1.01 -1.26 -4.53 116.67 111.06 1wg7 s ASP 62 Ca -0.05 -1.71 -0.20 0.00 0.71 0.00 0.00 52.55 51.30 1wg7 s ASP 62 Cb 0.11 0.54 -0.11 0.00 1.01 0.00 0.00 42.92 44.46 1wg7 s ASP 62 CO 0.82 -1.01 1.12 -0.33 0.21 0.00 0.00 175.17 175.98 1wg7 h GLU 63 N 2.07 -0.70 -4.75 8.23 5.08 -1.95 -3.42 114.58 119.15 1wg7 h GLU 63 Ca -0.28 0.05 -0.46 0.00 -1.00 0.00 0.00 59.36 57.66 1wg7 h GLU 63 Cb 1.24 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 30.56 1wg7 h GLU 63 CO 0.43 -0.47 1.70 1.63 -1.00 0.00 0.00 179.01 181.31 1wg7 n LYS 64 N -4.27 0.00 0.00 2.33 5.02 -1.26 -4.83 118.16 115.15 1wg7 n LYS 64 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1wg7 n LYS 64 Cb 0.29 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1wg7 n LYS 64 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1wg7 n ILE 65 N 6.89 0.00 0.00 -0.18 -5.35 -1.26 -4.72 119.36 114.73 1wg7 n ILE 65 Ca 0.63 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 63.11 1wg7 n ILE 65 Cb 0.04 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 1wg7 n ILE 65 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1wg7 n SER 66 N 0.00 0.00 -3.25 7.28 2.88 -1.26 -4.92 113.62 114.36 1wg7 n SER 66 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wg7 n SER 66 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wg7 n SER 66 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1wg7 n LYS 67 N 0.00 -0.32 -2.88 -1.46 5.02 -1.26 -4.94 118.16 112.32 1wg7 n LYS 67 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1wg7 n LYS 67 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1wg7 n LYS 67 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1wg7 s GLU 68 N -1.56 4.46 0.80 1.97 2.02 -1.26 -5.05 118.70 120.08 1wg7 s GLU 68 Ca 0.00 1.13 -0.11 0.00 0.02 0.00 0.00 54.97 56.00 1wg7 s GLU 68 Cb 0.00 -3.48 0.07 0.00 0.10 0.00 0.00 34.13 30.82 1wg7 s GLU 68 CO 0.00 -0.06 1.10 -1.25 0.02 0.00 0.00 175.26 175.07 1wg7 s PRO 69 N 1.14 2.08 0.36 0.39 0.04 -1.26 -4.93 135.00 132.81 1wg7 s PRO 69 Ca 0.44 0.63 0.27 0.00 0.04 0.00 0.00 61.00 62.38 1wg7 s PRO 69 Cb -0.19 -1.92 1.05 0.00 0.04 0.00 0.00 34.50 33.49 1wg7 s PRO 69 CO 0.21 -1.62 1.80 0.87 0.04 0.00 0.00 177.00 178.30 1wg7 h LYS 70 N -1.09 0.00 0.00 4.56 1.79 -1.80 -3.48 116.57 116.55 1wg7 h LYS 70 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1wg7 h LYS 70 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1wg7 h LYS 70 CO 0.59 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.37 1wg7 n GLY 71 N 0.22 -0.87 0.00 3.86 0.00 -1.25 -5.03 105.19 102.11 1wg7 n GLY 71 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1wg7 n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wg7 n SER 72 N 0.00 0.00 -4.31 1.61 2.88 -1.26 -4.30 113.62 108.23 1wg7 n SER 72 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 1wg7 n SER 72 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1wg7 n SER 72 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wg7 s ILE 73 N -2.00 3.87 -1.25 2.46 1.01 -0.03 -4.96 121.20 120.30 1wg7 s ILE 73 Ca 0.00 -0.86 -0.20 0.00 0.00 0.00 0.00 60.65 59.59 1wg7 s ILE 73 Cb 0.00 -3.06 0.01 0.00 0.01 0.00 0.00 42.46 39.42 1wg7 s ILE 73 CO 0.00 -0.01 1.80 -0.36 0.00 0.00 0.00 174.94 176.37 1wg7 s PHE 74 N 1.46 2.47 0.64 3.97 0.08 -1.26 -3.35 117.98 121.99 1wg7 s PHE 74 Ca 0.01 -0.85 0.27 0.00 0.12 0.00 0.00 56.93 56.48 1wg7 s PHE 74 Cb -0.18 -4.49 1.43 0.00 -0.57 0.00 0.00 43.02 39.21 1wg7 s PHE 74 CO 0.02 -1.60 1.82 -0.07 -0.10 0.00 0.00 175.22 175.29 1wg7 h LEU 75 N 14.43 0.00 -1.25 -0.37 -0.00 -1.92 1.75 115.31 127.94 1wg7 h LEU 75 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.24 1wg7 h LEU 75 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.56 1wg7 h LEU 75 CO 1.37 0.00 0.00 -0.78 -0.00 0.00 0.00 178.44 179.03 1wg7 h ASP 76 N 0.00 0.00 0.00 -0.43 1.82 -1.85 -3.01 116.42 112.96 1wg7 h ASP 76 Ca 0.09 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.63 1wg7 h ASP 76 Cb 1.02 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.01 1wg7 h ASP 76 CO -0.00 0.00 -1.39 -1.20 -1.61 0.00 0.00 179.24 175.04 1wg7 n SER 77 N -2.50 3.55 -4.49 2.28 7.64 0.57 -5.03 113.62 115.65 1wg7 n SER 77 Ca 0.00 -0.02 -0.49 0.00 1.01 0.00 0.00 58.87 59.38 1wg7 n SER 77 Cb 0.18 0.30 -0.03 0.00 -1.01 0.00 0.00 64.21 63.65 1wg7 n SER 77 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg7 n MET 79 N 1.13 0.70 0.00 0.00 0.00 0.52 -4.84 117.12 114.63 1wg7 n MET 79 Ca 0.16 0.20 0.00 0.00 0.00 0.00 0.00 57.70 58.05 1wg7 n MET 79 Cb 0.24 -1.64 0.00 0.00 0.00 0.00 0.00 33.22 31.83 1wg7 n MET 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1wg7 n GLY 80 N 1.98 0.83 3.63 3.03 0.00 -1.11 -4.95 105.19 108.61 1wg7 n GLY 80 Ca -0.34 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 1wg7 n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wg7 s VAL 81 N -2.00 4.74 0.40 1.61 1.01 -1.26 -0.65 120.40 124.24 1wg7 s VAL 81 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.00 1wg7 s VAL 81 Cb 0.00 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1wg7 s VAL 81 CO 0.00 0.47 0.41 0.68 0.00 0.00 0.00 175.10 176.66 1wg7 s VAL 82 N 0.30 3.00 -0.06 2.92 -7.23 0.15 -4.96 120.40 114.51 1wg7 s VAL 82 Ca 0.03 -1.26 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 1wg7 s VAL 82 Cb -0.12 -3.06 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 1wg7 s VAL 82 CO 0.00 -0.05 0.06 -1.10 -0.31 0.00 0.00 175.10 173.71 1wg7 s GLN 83 N -4.15 3.10 -0.50 4.82 -0.21 -1.26 -2.24 119.66 119.22 1wg7 s GLN 83 Ca 0.48 -0.38 0.06 0.00 0.02 0.00 0.00 55.36 55.54 1wg7 s GLN 83 Cb -0.05 -2.90 0.20 0.00 1.00 0.00 0.00 33.01 31.26 1wg7 s GLN 83 CO 0.29 0.70 0.78 0.09 -2.12 0.00 0.00 175.29 175.03 1wg7 n ASN 84 N 1.77 -3.23 -1.67 5.90 4.13 0.94 -4.81 115.26 118.29 1wg7 n ASN 84 Ca -0.17 -2.85 -0.11 0.00 1.68 0.00 0.00 54.58 53.14 1wg7 n ASN 84 Cb 0.54 1.70 0.14 0.00 -1.54 0.00 0.00 39.78 40.61 1wg7 n ASN 84 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1wg7 n ASN 85 N 2.70 3.55 -0.12 6.41 4.13 -1.21 -3.00 115.26 127.71 1wg7 n ASN 85 Ca 0.16 -2.89 -0.24 0.00 1.68 0.00 0.00 54.58 53.29 1wg7 n ASN 85 Cb 0.58 -0.69 -0.09 0.00 -1.54 0.00 0.00 39.78 38.04 1wg7 n ASN 85 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1wg7 n LYS 86 N -0.32 0.54 0.43 3.52 4.76 -1.26 -4.61 118.16 121.21 1wg7 n LYS 86 Ca 0.32 0.20 -0.19 0.00 -2.87 0.00 0.00 58.31 55.78 1wg7 n LYS 86 Cb 1.14 -1.40 -0.09 0.00 -1.84 0.00 0.00 35.03 32.83 1wg7 n LYS 86 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1wg7 h VAL 87 N -0.65 0.22 -3.63 -0.18 -1.51 -1.93 -3.45 116.25 105.12 1wg7 h VAL 87 Ca -0.60 0.00 -0.19 0.00 -1.23 0.00 0.00 66.70 64.68 1wg7 h VAL 87 Cb 1.62 0.22 -0.24 0.00 -2.13 0.00 0.00 31.29 30.75 1wg7 h VAL 87 CO -0.30 0.00 -0.61 -0.60 -1.23 0.00 0.00 177.57 174.83 1wg7 s ARG 88 N -6.03 0.22 -0.52 5.19 3.52 -1.26 -5.02 118.95 115.05 1wg7 s ARG 88 Ca -0.18 -0.15 -0.38 0.00 -0.13 0.00 0.00 55.73 54.89 1wg7 s ARG 88 Cb 0.03 0.09 -0.16 0.00 -1.56 0.00 0.00 34.95 33.35 1wg7 s ARG 88 CO 0.61 -0.04 2.26 0.54 -0.81 0.00 0.00 175.30 177.87 1wg7 n ARG 89 N 2.39 0.47 -2.43 5.12 1.74 -1.26 -1.58 116.66 121.10 1wg7 n ARG 89 Ca -0.17 0.11 -0.01 0.00 -0.77 0.00 0.00 57.85 57.01 1wg7 n ARG 89 Cb 0.58 -1.98 0.01 0.00 -1.02 0.00 0.00 32.46 30.05 1wg7 n ARG 89 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1wg7 n PHE 90 N 9.36 -1.72 -4.85 -1.55 3.72 -1.26 -4.53 117.46 116.63 1wg7 n PHE 90 Ca 0.51 0.65 -0.28 0.00 -0.05 0.00 0.00 57.45 58.28 1wg7 n PHE 90 Cb 0.11 -3.10 -0.17 0.00 -0.94 0.00 0.00 39.48 35.38 1wg7 n PHE 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wg7 s ALA 91 N -3.03 1.63 0.00 4.37 0.00 -0.61 -1.89 121.76 122.23 1wg7 s ALA 91 Ca 0.04 -0.65 0.07 0.00 0.00 0.00 0.00 51.96 51.41 1wg7 s ALA 91 Cb -0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1wg7 s ALA 91 CO 0.44 0.20 -0.21 -0.59 0.00 0.00 0.00 175.76 175.60 1wg7 s PHE 92 N 0.48 1.86 -0.02 0.00 -0.71 0.18 -0.04 117.98 119.73 1wg7 s PHE 92 Ca -0.15 -0.36 -0.04 0.00 -1.04 0.00 0.00 56.93 55.34 1wg7 s PHE 92 Cb -0.16 -1.17 -0.04 0.00 -1.21 0.00 0.00 43.02 40.44 1wg7 s PHE 92 CO 0.06 0.01 0.19 -2.00 -1.34 0.00 0.00 175.22 172.13 1wg7 s GLU 93 N -0.72 3.45 -0.35 1.99 2.12 -0.95 0.10 118.70 124.35 1wg7 s GLU 93 Ca 0.08 -0.27 -0.11 0.00 0.36 0.00 0.00 54.97 55.03 1wg7 s GLU 93 Cb -0.08 -3.11 0.01 0.00 0.26 0.00 0.00 34.13 31.21 1wg7 s GLU 93 CO 0.00 0.69 0.20 -0.51 -0.54 0.00 0.00 175.26 175.10 1wg7 s LEU 94 N -1.79 4.52 -0.05 2.70 2.01 0.54 0.30 118.68 126.92 1wg7 s LEU 94 Ca 0.26 -0.78 -0.27 0.00 0.01 0.00 0.00 54.13 53.34 1wg7 s LEU 94 Cb -0.13 -2.04 -0.03 0.00 0.01 0.00 0.00 46.19 44.01 1wg7 s LEU 94 CO 0.16 -0.31 0.87 -0.54 1.01 0.00 0.00 176.35 177.54 1wg7 s LYS 95 N 1.60 4.48 0.52 1.70 -0.14 0.17 -1.54 119.74 126.53 1wg7 s LYS 95 Ca 0.03 1.19 0.05 0.00 -1.36 0.00 0.00 55.97 55.88 1wg7 s LYS 95 Cb -0.18 -3.47 0.02 0.00 -1.68 0.00 0.00 37.83 32.51 1wg7 s LYS 95 CO 0.07 -0.06 0.29 -1.64 -0.76 0.00 0.00 175.35 173.25 1wg7 s MET 96 N 1.12 2.25 -0.00 1.68 -1.94 -0.62 0.20 119.30 121.98 1wg7 s MET 96 Ca 0.45 -2.08 0.09 0.00 -1.71 0.00 0.00 55.69 52.44 1wg7 s MET 96 Cb -0.19 -1.96 -0.11 0.00 2.01 0.00 0.00 34.83 34.58 1wg7 s MET 96 CO 0.22 -0.50 0.33 0.00 -0.01 0.00 0.00 175.02 175.07 1wg7 n GLN 97 N -1.59 2.92 -0.69 2.03 10.64 -1.09 -4.45 117.38 125.15 1wg7 n GLN 97 Ca -0.06 -0.03 -0.11 0.00 -1.83 0.00 0.00 57.00 54.98 1wg7 n GLN 97 Cb 0.65 -1.01 0.13 0.00 -0.86 0.00 0.00 30.24 29.14 1wg7 n GLN 97 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1wg7 n ASP 98 N -1.39 3.51 -2.72 2.61 8.00 -1.26 -4.91 116.55 120.39 1wg7 n ASP 98 Ca 0.01 -2.88 -0.01 0.00 0.71 0.00 0.00 54.79 52.62 1wg7 n ASP 98 Cb 0.17 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 1wg7 n ASP 98 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1wg7 n LYS 99 N -0.33 -3.40 0.00 -1.24 5.02 -1.26 -5.04 118.16 111.91 1wg7 n LYS 99 Ca 0.32 2.73 0.00 0.00 -2.02 0.00 0.00 58.31 59.34 1wg7 n LYS 99 Cb 1.13 -5.39 0.00 0.00 -0.02 0.00 0.00 35.03 30.75 1wg7 n LYS 99 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1wg7 n SER 100 N 0.61 0.00 -3.56 4.39 3.41 -1.26 -5.06 113.62 112.16 1wg7 n SER 100 Ca 0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.48 1wg7 n SER 100 Cb 0.04 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 1wg7 n SER 100 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wg7 s SER 101 N 0.00 -0.50 -0.03 4.04 1.04 -1.25 -1.59 113.70 115.41 1wg7 s SER 101 Ca 0.00 0.57 0.01 0.00 0.48 0.00 0.00 55.95 57.01 1wg7 s SER 101 Cb 0.00 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 1wg7 s SER 101 CO 0.00 -0.44 -0.01 -0.31 0.98 0.00 0.00 173.24 173.45 1wg7 s TYR 102 N -1.06 3.06 -0.45 5.02 2.02 -0.59 -4.68 117.35 120.67 1wg7 s TYR 102 Ca -0.05 0.09 -0.12 0.00 -0.37 0.00 0.00 57.07 56.61 1wg7 s TYR 102 Cb -0.01 -1.69 0.08 0.00 -0.40 0.00 0.00 41.96 39.94 1wg7 s TYR 102 CO 0.05 0.44 0.33 -1.17 -1.57 0.00 0.00 175.55 173.63 1wg7 s LEU 103 N -1.31 5.41 0.25 -1.29 0.20 -1.26 0.20 118.68 120.87 1wg7 s LEU 103 Ca 0.17 -1.41 0.05 0.00 0.69 0.00 0.00 54.13 53.63 1wg7 s LEU 103 Cb -0.11 -2.09 -0.03 0.00 -0.43 0.00 0.00 46.19 43.53 1wg7 s LEU 103 CO 0.07 -0.60 0.37 -0.76 -0.29 0.00 0.00 176.35 175.14 1wg7 s LEU 104 N 1.54 4.30 -0.28 -0.68 1.43 0.28 0.14 118.68 125.41 1wg7 s LEU 104 Ca 0.04 0.07 -0.21 0.00 -1.03 0.00 0.00 54.13 52.99 1wg7 s LEU 104 Cb -0.24 -2.86 0.10 0.00 0.03 0.00 0.00 46.19 43.22 1wg7 s LEU 104 CO 0.04 -0.09 0.84 0.00 0.23 0.00 0.00 176.35 177.37 1wg7 s ALA 105 N -1.99 -1.93 0.46 4.21 0.00 -0.85 0.50 121.76 122.16 1wg7 s ALA 105 Ca 0.35 2.11 0.07 0.00 0.00 0.00 0.00 51.96 54.49 1wg7 s ALA 105 Cb -0.09 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.63 1wg7 s ALA 105 CO 0.29 -0.32 0.36 0.00 0.00 0.00 0.00 175.76 176.09 1wg7 s ALA 106 N 0.79 4.09 0.09 0.00 0.00 -0.79 0.22 121.76 126.17 1wg7 s ALA 106 Ca -0.03 -1.76 -0.02 0.00 0.00 0.00 0.00 51.96 50.15 1wg7 s ALA 106 Cb -0.05 -0.81 -0.24 0.00 0.00 0.00 0.00 23.12 22.02 1wg7 s ALA 106 CO -0.08 -0.29 1.20 0.22 0.00 0.00 0.00 175.76 176.80 1wg7 h ASP 107 N 1.01 0.33 -3.52 0.00 1.82 -1.86 -3.44 116.42 110.76 1wg7 h ASP 107 Ca -0.40 -0.35 -0.42 0.00 -0.39 0.00 0.00 57.03 55.47 1wg7 h ASP 107 Cb 1.27 -0.11 -0.15 0.00 0.68 0.00 0.00 39.33 41.02 1wg7 h ASP 107 CO 0.59 1.25 -0.74 -0.44 -1.61 0.00 0.00 179.24 178.30 1wg7 s SER 108 N -7.04 2.33 0.30 2.28 0.01 -1.26 -5.01 113.70 105.31 1wg7 s SER 108 Ca -0.03 -0.98 0.05 0.00 1.31 0.00 0.00 55.95 56.31 1wg7 s SER 108 Cb 0.08 -0.10 0.73 0.00 0.21 0.00 0.00 66.02 66.94 1wg7 s SER 108 CO 0.87 -0.19 1.77 1.05 0.41 0.00 0.00 173.24 177.15 1wg7 h GLU 109 N 2.80 0.71 0.93 12.44 4.11 -1.93 0.53 114.58 134.17 1wg7 h GLU 109 Ca -0.38 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 58.96 1wg7 h GLU 109 Cb 1.21 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1wg7 h GLU 109 CO 0.60 0.47 -0.49 -0.24 0.07 0.00 0.00 179.01 179.42 1wg7 h VAL 110 N 0.74 0.00 0.00 -1.06 3.04 -1.98 0.69 116.25 117.68 1wg7 h VAL 110 Ca 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.26 1wg7 h VAL 110 Cb 0.90 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.18 1wg7 h VAL 110 CO -0.39 0.00 0.16 -0.33 -1.01 0.00 0.00 177.57 176.00 1wg7 h GLU 111 N -1.31 0.00 0.04 4.17 5.08 -1.69 0.97 114.58 121.85 1wg7 h GLU 111 Ca -0.13 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.91 1wg7 h GLU 111 Cb 1.02 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 1wg7 h GLU 111 CO 0.18 0.00 -1.83 -0.12 -1.00 0.00 0.00 179.01 176.24 1wg7 n MET 112 N -2.47 0.68 0.06 2.33 1.56 0.08 -3.95 117.12 115.41 1wg7 n MET 112 Ca -0.02 0.28 -0.16 0.00 -0.27 0.00 0.00 57.70 57.53 1wg7 n MET 112 Cb 0.20 -1.76 -0.14 0.00 2.15 0.00 0.00 33.22 33.68 1wg7 n MET 112 CO 0.00 0.00 0.00 1.05 -0.73 0.00 0.00 175.97 176.29 1wg7 h GLU 113 N 0.02 0.23 0.07 2.12 4.11 0.39 -3.05 114.58 118.47 1wg7 h GLU 113 Ca -0.34 -0.40 0.01 0.00 0.07 0.00 0.00 59.36 58.70 1wg7 h GLU 113 Cb 2.03 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 31.40 1wg7 h GLU 113 CO 0.08 1.09 -0.28 0.93 0.07 0.00 0.00 179.01 180.90 1wg7 h GLU 114 N 0.06 -0.39 -0.06 1.06 5.08 0.60 0.23 114.58 121.16 1wg7 h GLU 114 Ca -0.24 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1wg7 h GLU 114 Cb 2.01 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 31.31 1wg7 h GLU 114 CO 0.16 -0.26 -0.14 -1.49 -1.00 0.00 0.00 179.01 176.28 1wg7 h TRP 115 N -0.40 -0.36 -1.03 4.33 4.06 -1.73 0.53 115.95 121.34 1wg7 h TRP 115 Ca -0.00 0.02 0.30 0.00 2.06 0.00 0.00 58.89 61.26 1wg7 h TRP 115 Cb 0.40 0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 28.69 1wg7 h TRP 115 CO -0.37 -0.21 0.95 0.82 -3.56 0.00 0.00 178.44 176.07 1wg7 h ILE 116 N -0.21 0.19 0.11 1.49 2.04 -1.34 0.95 117.51 120.75 1wg7 h ILE 116 Ca 0.07 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 65.57 1wg7 h ILE 116 Cb 0.30 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1wg7 h ILE 116 CO -0.18 0.00 -1.98 0.41 0.00 0.00 0.00 178.15 176.40 1wg7 n THR 117 N -3.68 1.75 0.33 -0.27 -1.04 0.92 -3.15 114.28 109.14 1wg7 n THR 117 Ca 0.22 -0.61 -0.13 0.00 -2.04 0.00 0.00 64.05 61.50 1wg7 n THR 117 Cb 1.28 -1.74 -0.06 0.00 -1.82 0.00 0.00 70.33 67.99 1wg7 n THR 117 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1wg7 h ILE 118 N -0.01 0.00 -0.65 12.58 5.03 0.53 1.25 117.51 136.24 1wg7 h ILE 118 Ca -0.43 -0.05 0.13 0.00 -0.12 0.00 0.00 64.86 64.39 1wg7 h ILE 118 Cb 1.98 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 35.67 1wg7 h ILE 118 CO 0.06 0.00 0.13 -0.07 -0.68 0.00 0.00 178.15 177.59 1wg7 h LEU 119 N -0.89 -0.02 -1.14 1.44 3.38 -0.37 0.46 115.31 118.18 1wg7 h LEU 119 Ca -0.09 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1wg7 h LEU 119 Cb 0.64 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1wg7 h LEU 119 CO 0.14 -0.02 0.14 0.78 0.09 0.00 0.00 178.44 179.57 1wg7 h ASN 120 N 0.25 0.69 0.14 -0.43 2.35 -1.48 -1.01 115.58 116.10 1wg7 h ASN 120 Ca 0.35 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1wg7 h ASN 120 Cb 0.56 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1wg7 h ASN 120 CO -0.46 0.67 -0.13 0.11 -1.65 0.00 0.00 177.43 175.97 1wg7 h LYS 121 N 0.73 -0.26 -0.15 0.81 1.57 0.63 1.84 116.57 121.75 1wg7 h LYS 121 Ca 0.17 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1wg7 h LYS 121 Cb 0.24 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1wg7 h LYS 121 CO -0.01 -0.17 0.31 0.82 -0.57 0.00 0.00 179.45 179.83 1wg7 h ILE 122 N -0.26 0.20 0.06 1.86 5.03 -1.16 1.20 117.51 124.43 1wg7 h ILE 122 Ca -0.02 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.72 1wg7 h ILE 122 Cb 0.23 0.72 0.00 0.00 -3.03 0.00 0.00 36.82 34.74 1wg7 h ILE 122 CO -0.01 0.00 -0.03 -0.07 -0.68 0.00 0.00 178.15 177.36 1wg7 h LEU 123 N 0.00 -0.07 -0.53 1.44 4.07 0.23 -1.45 115.31 119.01 1wg7 h LEU 123 Ca 0.07 -0.55 -0.11 0.00 0.08 0.00 0.00 57.88 57.37 1wg7 h LEU 123 Cb 0.69 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.43 1wg7 h LEU 123 CO -0.00 0.64 -0.11 1.56 -1.08 0.00 0.00 178.44 179.46 1wg7 h GLN 124 N -0.91 1.02 -0.26 1.13 4.20 0.47 -2.56 115.11 118.20 1wg7 h GLN 124 Ca -0.01 -0.38 -0.06 0.00 0.06 0.00 0.00 58.65 58.27 1wg7 h GLN 124 Cb 0.61 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1wg7 h GLN 124 CO 0.01 1.06 -0.08 -0.07 -0.67 0.00 0.00 178.83 179.08 1wg7 h LEU 125 N 0.89 0.39 -1.57 1.46 4.07 0.13 -1.39 115.31 119.28 1wg7 h LEU 125 Ca 0.14 -0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 1wg7 h LEU 125 Cb 0.68 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 1wg7 h LEU 125 CO 0.05 0.52 0.05 0.78 -1.08 0.00 0.00 178.44 178.76 1wg7 h ASN 126 N 0.39 0.30 -0.10 -0.43 2.35 -0.85 0.15 115.58 117.39 1wg7 h ASN 126 Ca 0.08 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1wg7 h ASN 126 Cb 0.39 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1wg7 h ASN 126 CO 0.02 0.31 -0.05 0.15 -1.65 0.00 0.00 177.43 176.21 1wg7 h PHE 127 N 0.33 0.24 0.00 1.19 3.04 -1.03 -2.90 116.94 117.80 1wg7 h PHE 127 Ca 0.08 -0.06 -0.05 0.00 3.98 0.00 0.00 57.97 61.92 1wg7 h PHE 127 Cb 0.14 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 1wg7 h PHE 127 CO 0.00 0.57 -0.22 0.93 -2.02 0.00 0.00 178.31 177.58 1wg7 h GLU 128 N -0.17 0.00 0.00 1.11 5.08 -1.14 -1.71 114.58 117.75 1wg7 h GLU 128 Ca 0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1wg7 h GLU 128 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1wg7 h GLU 128 CO 0.02 0.22 -0.14 0.00 -1.00 0.00 0.00 179.01 178.11 1wg7 h ALA 129 N 1.78 1.11 0.00 3.43 0.00 -0.55 0.08 119.26 125.11 1wg7 h ALA 129 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1wg7 h ALA 129 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1wg7 h ALA 129 CO 0.03 0.17 -0.00 0.00 0.00 0.00 0.00 179.25 179.45 1wg7 h ALA 130 N 1.86 -0.01 -0.06 0.00 0.00 -1.12 -2.05 119.26 117.89 1wg7 h ALA 130 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1wg7 h ALA 130 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1wg7 h ALA 130 CO 0.02 -0.02 -0.08 0.52 0.00 0.00 0.00 179.25 179.69 1wg7 h MET 131 N -0.96 0.09 -0.05 0.00 2.07 -1.35 0.19 114.93 114.93 1wg7 h MET 131 Ca -0.00 -0.01 -0.09 0.00 -2.07 0.00 0.00 59.70 57.53 1wg7 h MET 131 Cb 0.88 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.59 1wg7 h MET 131 CO 0.00 0.18 -0.32 -0.56 1.07 0.00 0.00 176.91 177.28 1wg7 h GLN 132 N 0.09 0.30 -0.36 1.72 3.07 -1.06 -3.23 115.11 115.64 1wg7 h GLN 132 Ca 0.02 -0.26 -0.08 0.00 0.09 0.00 0.00 58.65 58.43 1wg7 h GLN 132 Cb 0.20 0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.80 1wg7 h GLN 132 CO 0.01 0.92 -0.09 0.93 0.09 0.00 0.00 178.83 180.68 1wg7 h GLU 133 N -0.23 0.62 -0.90 0.06 4.39 -0.96 0.33 114.58 117.89 1wg7 h GLU 133 Ca -0.03 -0.18 0.17 0.00 0.34 0.00 0.00 59.36 59.67 1wg7 h GLU 133 Cb 0.99 -0.06 -0.17 0.00 -0.10 0.00 0.00 28.75 29.41 1wg7 h GLU 133 CO 0.06 0.71 -0.25 -0.22 -1.16 0.00 0.00 179.01 178.15 1wg7 h LYS 134 N 0.57 -0.01 0.00 2.33 3.64 -0.65 0.46 116.57 122.91 1wg7 h LYS 134 Ca 0.10 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 1wg7 h LYS 134 Cb 0.50 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1wg7 h LYS 134 CO 0.03 -0.01 -1.17 0.00 -2.27 0.00 0.00 179.45 176.03 1wg7 h ARG 135 N -0.01 0.00 -6.34 1.90 -0.00 -1.61 -3.49 114.38 104.83 1wg7 h ARG 135 Ca 0.41 0.00 -0.21 0.00 -0.50 0.00 0.00 59.98 59.69 1wg7 h ARG 135 Cb 0.65 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.63 1wg7 h ARG 135 CO -0.92 0.24 -1.09 -1.71 0.00 0.00 0.00 179.97 176.48 1wg7 n ASN 136 N -2.89 -5.79 0.00 7.04 5.15 0.16 -4.93 115.26 114.00 1wg7 n ASN 136 Ca -0.06 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 1wg7 n ASN 136 Cb 0.75 -1.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.47 1wg7 n ASN 136 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wg7 n GLY 137 N 0.49 -0.30 3.42 8.20 0.00 -1.26 -5.06 105.19 110.68 1wg7 n GLY 137 Ca -0.05 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1wg7 n GLY 137 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wg7 s ASP 138 N -3.19 -0.54 0.45 1.61 1.01 -1.26 -5.18 116.67 109.57 1wg7 s ASP 138 Ca 0.00 0.09 0.07 0.00 0.71 0.00 0.00 52.55 53.43 1wg7 s ASP 138 Cb 0.00 0.57 -0.00 0.00 1.01 0.00 0.00 42.92 44.50 1wg7 s ASP 138 CO 0.00 -0.88 0.42 -0.94 0.21 0.00 0.00 175.17 173.98 1wg7 s SER 139 N -2.45 5.00 0.18 0.27 1.04 -1.26 -5.07 113.70 111.40 1wg7 s SER 139 Ca -0.01 -0.83 -0.07 0.00 0.48 0.00 0.00 55.95 55.51 1wg7 s SER 139 Cb -0.01 -0.32 -0.02 0.00 0.10 0.00 0.00 66.02 65.77 1wg7 s SER 139 CO -0.08 -0.80 0.25 -2.28 0.98 0.00 0.00 173.24 171.31 1wg7 s HIS 140 N -2.54 0.57 0.23 5.02 2.46 -1.26 -5.18 115.29 114.59 1wg7 s HIS 140 Ca 0.47 -0.91 -0.11 0.00 0.47 0.00 0.00 55.06 54.97 1wg7 s HIS 140 Cb -0.03 -0.16 -0.01 0.00 -0.13 0.00 0.00 32.58 32.25 1wg7 s HIS 140 CO 0.28 -0.72 0.42 -1.83 -2.47 0.00 0.00 174.74 170.42 1wg7 s GLU 141 N -4.01 1.45 -0.07 2.88 -1.05 -1.26 -5.11 118.70 111.52 1wg7 s GLU 141 Ca 0.22 -1.25 -0.32 0.00 -0.15 0.00 0.00 54.97 53.47 1wg7 s GLU 141 Cb 0.04 0.44 0.13 0.00 -0.44 0.00 0.00 34.13 34.30 1wg7 s GLU 141 CO 0.03 -0.58 1.28 0.34 0.95 0.00 0.00 175.26 177.28 1wg7 s ASP 142 N -3.01 -0.07 0.22 0.83 -1.08 -1.26 -5.19 116.67 107.11 1wg7 s ASP 142 Ca 0.22 -0.09 0.03 0.00 -0.52 0.00 0.00 52.55 52.19 1wg7 s ASP 142 Cb 0.01 0.15 -0.05 0.00 -1.46 0.00 0.00 42.92 41.56 1wg7 s ASP 142 CO 0.07 -0.26 0.02 -1.81 0.52 0.00 0.00 175.17 173.71 1wg7 s ASP 143 N -2.74 1.53 -0.29 -0.34 1.11 -1.26 -5.16 116.67 109.53 1wg7 s ASP 143 Ca 0.13 -1.25 -0.15 0.00 0.18 0.00 0.00 52.55 51.46 1wg7 s ASP 143 Cb 0.03 0.07 0.11 0.00 1.07 0.00 0.00 42.92 44.21 1wg7 s ASP 143 CO -0.04 -0.58 0.79 -1.83 1.18 0.00 0.00 175.17 174.68 1wg7 s GLU 144 N -3.92 0.56 0.42 8.23 -1.05 -1.26 -5.18 118.70 116.51 1wg7 s GLU 144 Ca 0.30 1.07 0.07 0.00 -0.15 0.00 0.00 54.97 56.25 1wg7 s GLU 144 Cb 0.06 0.29 -0.06 0.00 -0.44 0.00 0.00 34.13 33.98 1wg7 s GLU 144 CO 0.09 -0.14 0.10 -1.54 0.95 0.00 0.00 175.26 174.72 1wg7 s SER 145 N 1.87 4.16 0.19 0.83 1.04 -1.26 -5.16 113.70 115.38 1wg7 s SER 145 Ca -0.08 -1.26 -0.00 0.00 0.48 0.00 0.00 55.95 55.08 1wg7 s SER 145 Cb -0.06 -0.33 -0.04 0.00 0.10 0.00 0.00 66.02 65.69 1wg7 s SER 145 CO -0.18 -0.55 0.09 -0.83 0.98 0.00 0.00 173.24 172.75 1wg7 s GLY 146 N -3.83 1.36 1.02 7.32 0.00 -1.26 -5.17 107.32 106.77 1wg7 s GLY 146 Ca 0.35 -1.66 -0.17 0.00 0.00 0.00 0.00 44.72 43.24 1wg7 s GLY 146 CO 0.19 -1.45 1.13 -1.55 0.00 0.00 0.00 173.10 171.42 1wg7 n PRO 147 N -0.26 -2.08 -0.02 2.90 -0.04 -1.26 -5.04 135.00 129.20 1wg7 n PRO 147 Ca -0.01 -1.77 -0.03 0.00 -0.04 0.00 0.00 63.50 61.65 1wg7 n PRO 147 Cb 0.65 -1.40 -0.01 0.00 -0.04 0.00 0.00 33.50 32.70 1wg7 n PRO 147 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wg7 n SER 148 N -4.26 2.26 -1.41 3.54 3.41 -1.26 -5.14 113.62 110.76 1wg7 n SER 148 Ca 0.15 0.01 0.18 0.00 -0.26 0.00 0.00 58.87 58.95 1wg7 n SER 148 Cb 0.54 -0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 1wg7 n SER 148 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wg7 n SER 149 N -2.83 -8.31 0.00 4.04 2.88 -1.26 -5.39 113.62 102.75 1wg7 n SER 149 Ca -0.06 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1wg7 n SER 149 Cb 0.55 -4.52 0.00 0.00 -0.75 0.00 0.00 64.21 59.50 1wg7 n SER 149 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42